Monomers
Ethyl vinyl ketone
Identifiers
IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
14 13 0 0 0 0 0 0 0 0999 V2000
-1.5453 0.7251 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2410 -0.3699 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2447 -0.5646 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6860 -1.2256 -1.2425 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0937 -0.0074 0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3834 -0.1827 0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6943 1.4116 -1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7359 0.3000 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4209 1.2672 -0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5691 -0.0580 0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6895 -1.3405 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6597 0.5494 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8168 -0.7343 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0117 0.2296 1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
2 11 1 0
5 12 1 0
6 13 1 0
6 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers